SOTAVerified

Drug Design

Papers

Recently AddedMost HypedMost ActiveNeeds VerificationMost Verified

Showing 401–440 of 440 papers

TitleStatusHype
Rigid Protein-Protein Docking via Equivariant Elliptic-Paraboloid Interface PredictionCode0
Roughness of molecular property landscapes and its impact on modellabilityCode0
An Efficient MCMC Approach to Energy Function Optimization in Protein Structure PredictionCode0
Federated Discrete Denoising Diffusion Model for Molecular Generation with OpenFLCode0
CrossBind: Collaborative Cross-Modal Identification of Protein Nucleic-Acid-Binding ResiduesCode0
Equivalent Distance Geometry Error for Molecular Conformation ComparisonCode0
Learning big logical rules by joining small rulesCode0
Critical review of conformational B-cell epitope prediction methodsCode0
Large Language Models for Controllable Multi-property Multi-objective Molecule OptimizationCode0
EquiBoost: An Equivariant Boosting Approach to Molecular Conformation GenerationCode0
ClaPIM: Scalable Sequence CLAssification using Processing-In-MemoryCode0
Insights into performance evaluation of com-pound-protein interaction prediction methodsCode0
CASTER: Predicting Drug Interactions with Chemical Substructure RepresentationCode0
Predicting solvation free energies with an implicit solvent machine learning potentialCode0
Image-Conditioned Graph Generation for Road Network ExtractionCode0
Empirical Evidence for the Fragment level Understanding on Drug Molecular Structure of LLMsCode0
Visualizing Convolutional Neural Network Protein-Ligand ScoringCode0
DrugGen enhances drug discovery with large language models and reinforcement learningCode0
Sever: A Robust Meta-Algorithm for Stochastic OptimizationCode0
YZS-model: A Predictive Model for Organic Drug Solubility Based on Graph Convolutional Networks and Transformer-AttentionCode0
Guided Multi-objective Generative AI to Enhance Structure-based Drug DesignCode0
GGL-PPI: Geometric Graph Learning to Predict Mutation-Induced Binding Free Energy ChangesCode0
GEO-Nav: a geometric dataset of voltage-gated sodium channelsCode0
Protein-Ligand Scoring with Convolutional Neural NetworksCode0
TurboHopp: Accelerated Molecule Scaffold Hopping with Consistency ModelsCode0
Carbonic anhydrase II simulated with a universal neural network potentialCode0
Dr-COVID: Graph Neural Networks for SARS-CoV-2 Drug RepurposingCode0
DP-Fast MH: Private, Fast, and Accurate Metropolis-Hastings for Large-Scale Bayesian InferenceCode0
Discriminative Embeddings of Latent Variable Models for Structured DataCode0
Using Molecular Embeddings in QSAR Modeling: Does it Make a Difference?Code0
Bridging Quantum and Classical Computing in Drug Design: Architecture Principles for Improved Molecule GenerationCode0
Geometric Graph Learning with Extended Atom-Types Features for Protein-Ligand Binding Affinity PredictionCode0
Diff4VS: HIV-inhibiting Molecules Generation with Classifier Guidance Diffusion for Virtual ScreeningCode0
A Deep Generative Model for Fragment-Based Molecule GenerationCode0
Utilizing Reinforcement Learning for de novo Drug DesignCode0
Vector Optimization with Gaussian Process BanditsCode0
A Comparative Analysis of the Ensemble Methods for Drug DesignCode0
DeepRLI: A Multi-objective Framework for Universal Protein--Ligand Interaction PredictionCode0
From Theory to Therapy: Reframing SBDD Model Evaluation via Practical MetricsCode0
Deep Reinforcement Learning for De-Novo Drug DesignCode0
Show:102550
← PrevPage 9 of 9Next →

No leaderboard results yet.